[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl]azanium

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(pyrimidin-2-ylamino)ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyrimidinylamino)propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(2-pyrimidylamino)ethyl]ammonium Formula: C15H16N5O+ MolecularWeight: 282.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=NC=CC=N3)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NC3=NC=CC=N3)[NH3+]

InChI

InChI=1S/C15H15N5O/c16-12(14(21)20-15-17-6-3-7-18-15)8-10-9-19-13-5-2-1-4-11(10)13/h1-7,9,12,19H,8,16H2,(H,17,18,20,21)/p+1/t12-/m0/s1